acetic acid;benzene;ethane;toluene

C21H36O2 — CID 90764441

IUPACacetic acid;benzene;ethane;toluene
SMILESCC.CC.CC.CC(=O)O.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.C2H4O2.3C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2(3)4;3*1-2/h2-6H,1H3;1-6H;1H3,(H,3,4);3*1-2H3
InChIKeyVIAPBDVNOLZAIH-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.85
Rot. Bonds

About acetic acid;benzene;ethane;toluene

acetic acid;benzene;ethane;toluene (PubChem CID 90764441) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is acetic acid;benzene;ethane;toluene.

Molecular Properties

Compound Nameacetic acid;benzene;ethane;toluene
PubChem CID90764441
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Nameacetic acid;benzene;ethane;toluene
SMILESCC.CC.CC.CC(=O)O.Cc1ccccc1.c1ccccc1
InChIInChI=1S/C7H8.C6H6.C2H4O2.3C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2(3)4;3*1-2/h2-6H,1H3;1-6H;1H3,(H,3,4);3*1-2H3
InChIKeyVIAPBDVNOLZAIH-UHFFFAOYSA-N
XLogP6.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;benzene;ethane;toluene?
The IUPAC name of acetic acid;benzene;ethane;toluene (CID 90764441) is acetic acid;benzene;ethane;toluene.
What is the SMILES notation for acetic acid;benzene;ethane;toluene?
The canonical SMILES for acetic acid;benzene;ethane;toluene is CC.CC.CC.CC(=O)O.Cc1ccccc1.c1ccccc1.
What is the InChIKey of acetic acid;benzene;ethane;toluene?
The InChIKey is VIAPBDVNOLZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H6.C2H4O2.3C2H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2(3)4;3*1-2/h2-6H,1H3;1-6H;1H3,(H,3,4);3*1-2H3.
What are the key properties of acetic acid;benzene;ethane;toluene?
acetic acid;benzene;ethane;toluene has a molecular weight of 320.52 g/mol, XLogP of 6.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;benzene;ethane;toluene is sourced from PubChem (CID 90764441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).